Nitrogen pentafluoride

Nitrogen pentafluoride  Names

IUPAC name

Nitrogen pentafluoride

Identifiers

CAS Number

* 13706-13-3[1]

3D model (JSmol)

* ionic: Interactive image
* covalent: Interactive image

PubChem CID

* 164180203 ionic

InChI

* InChI=1S/F4N.FH/c1-5(2,3)4;/h;1H/q+1;/p-1

Key: HGLYTTWJVOQBNH-UHFFFAOYSA-M

* InChI=1S/F5N/c1-6(2,3,4)5

Key: IFPFUYZWFMFDTL-UHFFFAOYSA-N

SMILES

* ionic: F[N+](F)(F)F.[F-]

* covalent: FN(F)(F)(F)F

Properties

Chemical formula

| NF

Molar mass | 108.999 g·mol−1
Structure

Molecular shape

| trigonal bipyramidal

Dipole moment

| 0 D
Related compounds

Other cations

| Phosphorus pentafluoride
Arsenic pentafluoride
Antimony pentafluoride
Bismuth pentafluoride

Related compounds

* Nitrogen monofluoride
* Nitrogen difluoride
* Nitrogen trifluoride
* Tetrafluoroammonium
* Vanadium pentafluoride

Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).

Infobox references

Nitrogen pentafluoride is a theoretical compound of nitrogen and fluorine with the chemical formula NF
5. It is hypothesized to exist based on the existence of the pentafluorides of the atoms below nitrogen in the periodic table, such as phosphorus pentafluoride. Theoretical models of the nitrogen pentafluoride molecule are either a trigonal bipyramidal covalently bound molecule with symmetry group D3h, or [NF
4]+

(tetrafluoroammonium fluoride), which would be an ionic solid.

## Ionic solid

A variety of other tetrafluoroammonium salts are known ([NF
4]+

), as are fluoride salts of other ammonium cations ([NR
4]+

In 1966, W. E. Tolberg first synthesized a five-valent nitrogen compound of nitrogen and fluorine when tetrafluoroammonium compounds, tetrafluoroammonium hexafluoroantimonate(V) [NF
4]+
[SbF
6]−
and tetrafluoroammonium hexafluoroarsenate(V) [NF
4]+
[AsF
6]−
were made.[2] In 1971 C. T. Goetschel announced the preparation of [NF
4]+
[BF
4]−
and also produced a white solid assumed to be tetrafluoroammonium fluoride ([NF
4]+

). This was made by treating nitrogen trifluoride and fluorine with 3 MeV electron radiation at 77 K. It decomposed above 143 K back into those ingredients.[2] Theoretical studies also show the ionic compound is very likely to decompose to nitrogen trifluoride and fluorine gas.[3]

Karl O. Christe synthesised bis(tetrafluoroammonium) hexafluoronickelate(IV) ([NF
4]+

2[NiF
6]2−.[4] He also prepared compounds with manganese, a fluorouranate, tetrafluoroammonium perchlorate [NF
4]+
ClO−
4, tetrafluoroammonium fluorosulfate [NF
4]+

3F−
and [N

3]+
(trifluorodiazenium) salts.[5] Christe attempted to make [NF
4]+

by metathesis of [NF
4]+
[SbF
6]−
with CsF in HF solvent at 20 °C. However, a variant, tetrafluoroammonium bifluoride hydrofluorates ([NF
4]+
[HF
2]−
* nHF), was produced. At room temperature it was a milky liquid, but when cooled, turned pasty. At −45 °C it had the form of a white solid. When reheated it frothed, giving off F
2, HF and NF
3 as gases.[5] This has CAS number 71485-49-9.[6]

I. J. Solomon believed that nitrogen pentafluoride was produced by the thermal decomposition of [NF
4]+
[AsF
6]−
, but experimental results were not reproduced.[7]

Dominik Kurzydłowski and Patryk Zaleski-Ejgierd predict that a mixture of fluorine and nitrogen trifluoride under pressure between 10 and 33 GPa forms [NF
4]+

with space group R3m. This is a high-pressure oxidation. Over 33 GPa it will form a stable ionic compound with formula ([NF
4]+

2[NF
6]−

(bis(tetrafluoroammonium) hexafluoronitrate(V) fluoride) with space group I4/m. Over 151 GPa this is predicted to transform to [NF
4]+
[NF
6]−
(tetrafluoroammonium hexafluoronitrate(V)) with space group P4/n.[8] A NF
5 molecular compound is not stable under any pressure conditions.

* [NF
4]+

R3m structure

* ([NF
4]+

2[NF
6]−

I4/m structure

* [NF
4]+
[NF
6]−
P4/n structure

## Covalent molecule

Possible structure of NF
5 (left) and analogous fluorohydrides

For a NF
5 molecule to form, five fluorine atoms have to be arranged around a nitrogen atom. There is insufficient space to do this at typical nitrogen–fluorine covalent-bond lengths, so at least some bonds are forced to be longer. Calculations show that fragmentation to form NF
4 and F radicals would have a transition state barrier of around 66–84 kJ/mol (15.8–20.0 kcal/mol) and that this process is thermodynamically favourable (exothermic) by 38 kJ/mol (9 kcal/mol).[9] Nitrogen pentafluoride also violates the octet rule in which compounds with eight outer shell electrons are particularly stable.[10]

## References

1. ↑ Jäger, Susanne; von Jouanne, Jörn; Keller-Rudek, Hannelore et al. (1986). F Fluorine: Compounds with Oxygen and Nitrogen. Gmelin Handbook of Inorganic Chemistry. 4. Berlin: Springer. p. 163. doi:10.1007/978-3-662-06339-2. ISBN 978-3-662-06341-5. https://books.google.com/books?id=rpfsCAAAQBAJ&pg=PA163. Retrieved 29 August 2015.
2. ↑ 2.0 2.1 Goetschel, C. T.; V. A. Campanile; R. M. Curtis et al. (July 1972). "Preparation and properties of perfluoroammonium tetrafluoroborate, [NF4]+[BF4]−, and possible synthesis of nitrogen pentafluoride". Inorganic Chemistry 11 (7): 1696–1701. doi:10.1021/ic50113a051.
3. ↑ Christe, Karl O.; William W. Wilson (December 1992). "Nitrogen pentafluoride: covalent NF5 versus ionic NF4+F− and studies on the instability of the latter". Journal of the American Chemical Society 114 (25): 9934–9936. doi:10.1021/ja00051a027. Bibcode: 1992JAChS.114.9934C.
4. ↑ Christe, Karl O. (September 1977). "Synthesis and characterization of bis(tetrafluoroammonium) hexafluoronickelate". Inorganic Chemistry 16 (9): 2238–2241. doi:10.1021/ic50175a017.
5. ↑ 5.0 5.1 Christe, Karl O. (23 May 1980). "Research Studies in NF4+ Salts". Rockwell. http://apps.dtic.mil/dtic/tr/fulltext/u2/a086981.pdf.
6. ↑ Tetrafluoroammonium bifluoride
7. ↑ Christe, Karl O.; William W. Wilson; Gary J. Schrobilgen et al. (March 1998). "On the existence of pentacoordinated nitrogen". Inorganic Chemistry 27 (5): 789–790. doi:10.1021/ic00278a009.
8. ↑ Kurzydłowski, Dominik; Zaleski-Ejgierd, Patryk (3 November 2016). "Hexacoordinated nitrogen(V) stabilized by high pressure". Scientific Reports 6. doi:10.1038/srep36049. PMID 27808104. Bibcode: 2016NatSR...636049K.
9. ↑ Holger F. Bettinger; Paul v. R. Schleyer; Henry F. Schaefer III (27 October 1998). "NF5 — Viable or Not?". Journal of the American Chemical Society 120 (44): 11439–11448. doi:10.1021/ja9813921. Bibcode: 1998JAChS.12011439B.
10. ↑ Lewars, Errol G. (3 November 2008). "Nitrogen Pentafluoride and Related Compounds". Modeling marvels: computational anticipation of novel molecules. Springer. pp. 53–67. doi:10.1007/978-1-4020-6973-4_4. ISBN 978-1-4020-6972-7. https://books.google.com/books?id=IoFzgBSSCwEC.

* v
* t
* e

Nitrogen species

* Hydrides:
* NH3
* NH4+
* NH2− MNH2
* N3−
* NH2OH
* N2H4
* N3–
* Organic:
* -NH2
* -CHR=NHR
* -CONHR2
* HCN
* CN−
* C2N2
* H2NCN
* CH2N2
* Oxides:
* N2O
* NO
* NO2
* N2O3
* N2O4
* N2O5
* H2N2O2
* H4N2O4
* HNO2
* HNO3
* HONO3
* HN2O2−
* N2O22−
* NO2−
* ONOO−
* NO3−
* NO43−
* O2NOO−
* NO+
* NO2+
* Halides:
* NF3
* NCl3
* NBr3
* NI3
* FN3
* ClN3
* BrN3
* NH2Cl
* NHCl2

Chemical formulas

* v
* t
* e

Salts and covalent derivatives of the fluoride ion

HF |  |  |  | He

|
|
|
|

LiF | BeF2 | BF
BF3
B2F4 | CF4
other compounds | NF3
FN3
N2F2
N2F4
NF5§  | F2O
F2O2
other compounds | F2 | Ne
NaF | MgF2 | AlF
AlF3 | SiF4 | P2F4
PF3
PF5 | S2F2
SF2
SF4
SF6 | ClF
ClF3
ClF5 | Ar
KF | CaF
CaF2 | ScF3 | TiF2
TiF3
TiF4 | VF2
VF3
VF4
VF5 | CrF2
CrF3
CrF4
CrF5
CrF6§  | MnF2 | FeF2
FeF3 | CoF2
CoF3 | NiF2 | CuF
CuF2 | ZnF2 | GaF2
GaF3 | GeF2
GeF4 | AsF3
AsF5 | Se2F2
SeF4
SeF6 | BrF
BrF3
BrF5 | KrF2
RbF | SrF
SrF2 | YF3 | ZrF3
ZrF4 | NbF4
NbF5 | MoF2
MoF3
MoF4
MoF5
MoF6 | TcF4
TcF6 | RuF3
RuF5
RuF6 | RhF3
RhF5
RhF6 | PdF2 | AgF | CdF2 | InF
InF2
InF3 | SnF2
SnF4 | SbF3
SbF5 | Te3F2
TeF4
TeF6 | IF
IF3</br>IF5</br>IF7 | XeF2
XeF4
XeF6
CsF | BaF2 |  | HfF4 | TaF5 | WF2
WF3
WF4
WF5
WF6 | Re3F9
ReF4
ReF5
ReF6
ReF7 | OsF4
OsF5
OsF6 | IrF2
IrF3
IrF4
IrF5
IrF6 | PtF2
PtF4
PtF5
PtF6 | AuF
AuF3
Au2F10
AuF5•F2 | Hg2F2
HgF2
HgF4 | TlF | PbF2
PbF4 | BiF3
BiF5 | PoF2
PoF4
PoF6 | AtF  | RnF2
FrF | RaF2 |  | Rf  | Db  | Sg  | Bh  | Hs  | Mt  | Ds  | Rg  | Cn  | Nh  | Fl  | Mc  | Lv  | Ts  | Og
| ↓  |  |
LaF3 | CeF3
CeF4 | PrF3 | NdF2,
NdF3 | PmF3 | SmF2,
SmF3 | EuF2,
EuF3 | GdF3 | TbF3 | DyF2,
DyF3 | HoF3 | ErF3 | TmF2
TmF3 | YbF2
YbF3 | LuF3
AcF3 | ThF4 | PaF5 | UF3
UF4
UF5
UF6 | NpF4
NpF6 | PuF3
PuF6 | AmF2
AmF3 | CmF3 | BkF3 | CfF3 | EsF3 | Fm  | Md  | No  | LrF3

§ means the substance has not been made.

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